(2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid

C6H13NO3 — CID 45088165

IUPAC(2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid
SMILESC[C@H](O)[C@@H](C(=O)O)N(C)C
InChIInChI=1S/C6H13NO3/c1-4(8)5(6(9)10)7(2)3/h4-5,8H,1-3H3,(H,9,10)/t4-,5-/m0/s1
InChIKeyCIVVRPHZRYVSCF-WHFBIAKZSA-N
MW147.17 g/mol
LogP-0.62
Rot. Bonds3

About (2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid

(2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid (PubChem CID 45088165) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid
PubChem CID45088165
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid
SMILESC[C@H](O)[C@@H](C(=O)O)N(C)C
InChIInChI=1S/C6H13NO3/c1-4(8)5(6(9)10)7(2)3/h4-5,8H,1-3H3,(H,9,10)/t4-,5-/m0/s1
InChIKeyCIVVRPHZRYVSCF-WHFBIAKZSA-N
XLogP-0.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid?
The IUPAC name of (2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid (CID 45088165) is (2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid is C[C@H](O)[C@@H](C(=O)O)N(C)C.
What is the InChIKey of (2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid?
The InChIKey is CIVVRPHZRYVSCF-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(8)5(6(9)10)7(2)3/h4-5,8H,1-3H3,(H,9,10)/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid?
(2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 45088165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).